In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 26 | No |
Popular Name: (5Z)-6-hydroxy-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-(o-tolyl)pyrimidine-2,4-dione (5Z)-6-hydroxy-5-[(4-hydroxy-3-m…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.04 | 2.58 | -48.76 | 1 | 7 | -1 | 104 | 351.338 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 3.61 | -103.94 | 0 | 7 | -2 | 107 | 350.33 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 3.52 | -103.65 | 0 | 7 | -2 | 107 | 350.33 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 5.25 | -12.68 | 2 | 7 | 0 | 101 | 352.346 | 3 | ↓ |